Cas no 141424-11-5 (4,4-dimethyl-5-(tetrahydro-2H-pyran-2-yloxy)pentanal)
141424-11-5 structure
Product Name:4,4-dimethyl-5-(tetrahydro-2H-pyran-2-yloxy)pentanal
CAS No:141424-11-5
MF:C12H22O3
MW:214.301284313202
CID:2106736
PubChem ID:14059378
Update Time:2025-04-21
4,4-dimethyl-5-(tetrahydro-2H-pyran-2-yloxy)pentanal Chemical and Physical Properties
Names and Identifiers
-
- 4,4-dimethyl-5-(tetrahydro-2H-pyran-2-yloxy)pentanal
- 141424-11-5
- NXVGENPMCVOAKM-UHFFFAOYSA-N
- DA-10518
- SCHEMBL2305844
-
- Inchi： 1S/C12H22O3/c1-12(2,7-5-8-13)10-15-11-6-3-4-9-14-11/h8,11H,3-7,9-10H2,1-2H3
- InChI Key： NXVGENPMCVOAKM-UHFFFAOYSA-N
- SMILES： O(C1CCCCO1)CC(C)(C)CCC=O
Computed Properties
- Exact Mass: 214.15689456Da
- Monoisotopic Mass: 214.15689456Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 189
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 35.5?2
4,4-dimethyl-5-(tetrahydro-2H-pyran-2-yloxy)pentanal Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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